2-methoxy-5-[3-methoxy-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1,2-oxazol-4-yl]phenol

C20H23NO7 — CID 91044136

IUPAC2-methoxy-5-[3-methoxy-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1,2-oxazol-4-yl]phenol
SMILESCOC1=C(c2ccc(OC)c(O)c2)C(c2cc(OC)c(OC)c(OC)c2)ON1
InChIInChI=1S/C20H23NO7/c1-23-14-7-6-11(8-13(14)22)17-18(28-21-20(17)27-5)12-9-15(24-2)19(26-4)16(10-12)25-3/h6-10,18,21-22H,1-5H3
InChIKeyPCOTUKWCQMTTGI-UHFFFAOYSA-N
MW389.40 g/mol
LogP3.02
Rot. Bonds7

About 2-methoxy-5-[3-methoxy-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1,2-oxazol-4-yl]phenol

2-methoxy-5-[3-methoxy-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1,2-oxazol-4-yl]phenol (PubChem CID 91044136) has the molecular formula C20H23NO7 and a molecular weight of 389.40 g/mol. Its IUPAC name is 2-methoxy-5-[3-methoxy-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1,2-oxazol-4-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[3-methoxy-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1,2-oxazol-4-yl]phenol
PubChem CID91044136
Molecular FormulaC20H23NO7
Molecular Weight389.40 g/mol
Exact Mass389.15
IUPAC Name2-methoxy-5-[3-methoxy-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1,2-oxazol-4-yl]phenol
SMILESCOC1=C(c2ccc(OC)c(O)c2)C(c2cc(OC)c(OC)c(OC)c2)ON1
InChIInChI=1S/C20H23NO7/c1-23-14-7-6-11(8-13(14)22)17-18(28-21-20(17)27-5)12-9-15(24-2)19(26-4)16(10-12)25-3/h6-10,18,21-22H,1-5H3
InChIKeyPCOTUKWCQMTTGI-UHFFFAOYSA-N
XLogP3.02
TPSA87.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-methoxy-5-[3-methoxy-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1,2-oxazol-4-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-methoxy-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1,2-oxazol-4-yl]phenol?
The IUPAC name of 2-methoxy-5-[3-methoxy-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1,2-oxazol-4-yl]phenol (CID 91044136) is 2-methoxy-5-[3-methoxy-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1,2-oxazol-4-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[3-methoxy-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1,2-oxazol-4-yl]phenol?
The canonical SMILES for 2-methoxy-5-[3-methoxy-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1,2-oxazol-4-yl]phenol is COC1=C(c2ccc(OC)c(O)c2)C(c2cc(OC)c(OC)c(OC)c2)ON1.
What is the InChIKey of 2-methoxy-5-[3-methoxy-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1,2-oxazol-4-yl]phenol?
The InChIKey is PCOTUKWCQMTTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO7/c1-23-14-7-6-11(8-13(14)22)17-18(28-21-20(17)27-5)12-9-15(24-2)19(26-4)16(10-12)25-3/h6-10,18,21-22H,1-5H3.
What are the key properties of 2-methoxy-5-[3-methoxy-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1,2-oxazol-4-yl]phenol?
2-methoxy-5-[3-methoxy-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1,2-oxazol-4-yl]phenol has a molecular weight of 389.40 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-methoxy-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1,2-oxazol-4-yl]phenol is sourced from PubChem (CID 91044136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).